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Title: Materials Data on NaNiO2 by Materials Project

Abstract

NaNiO2 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Na1+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. All Na–O bond lengths are 2.51 Å. Ni3+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Ni–O bond lengths are 1.87 Å. O2- is bonded to four equivalent Na1+ and two equivalent Ni3+ atoms to form a mixture of edge, corner, and face-sharing ONa4Ni2 octahedra. The corner-sharing octahedra tilt angles range from 0–63°.

Authors:
Publication Date:
Other Number(s):
mp-1147543
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Research Org.:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; NaNiO2; Na-Ni-O
OSTI Identifier:
1744968
DOI:
https://doi.org/10.17188/1744968

Citation Formats

The Materials Project. Materials Data on NaNiO2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1744968.
The Materials Project. Materials Data on NaNiO2 by Materials Project. United States. doi:https://doi.org/10.17188/1744968
The Materials Project. 2020. "Materials Data on NaNiO2 by Materials Project". United States. doi:https://doi.org/10.17188/1744968. https://www.osti.gov/servlets/purl/1744968. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1744968,
title = {Materials Data on NaNiO2 by Materials Project},
author = {The Materials Project},
abstractNote = {NaNiO2 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Na1+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. All Na–O bond lengths are 2.51 Å. Ni3+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Ni–O bond lengths are 1.87 Å. O2- is bonded to four equivalent Na1+ and two equivalent Ni3+ atoms to form a mixture of edge, corner, and face-sharing ONa4Ni2 octahedra. The corner-sharing octahedra tilt angles range from 0–63°.},
doi = {10.17188/1744968},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}